Advanced Graph Neural Networks: Architectures and Implementation
Chapter 1: Revisiting Graph Neural Network Foundations
Graph Representations for Machine Learning
The Message Passing Framework Revisited
Spectral Graph Theory Fundamentals for GNNs
Graph Signal Processing Concepts
Expressive Power and the WL Test
Chapter 2: Advanced Graph Neural Network Architectures
Graph Convolutional Networks (GCN)
Graph Attention Networks (GAT)
Implementing Multi-Head Attention in GATs
Graph Transformers
Advanced Spectral GNNs (ChebNet, CayleyNets)
Advanced Spatial GNNs (GraphSAGE Variants, PNA)
Comparing Architectural Choices and Trade-offs
Hands-on Practical: Implementing GAT Layers
Chapter 3: Addressing Training Complexities in GNNs
The Oversmoothing Problem
Techniques to Mitigate Oversmoothing
The Oversquashing Problem
Handling Large Graphs: Scalability Challenges
Neighborhood Sampling Techniques (GraphSAGE)
Graph Sampling Techniques (GraphSAINT, ShaDow-GNN)
Subgraph and Clustering Methods (Cluster-GCN)
Optimization Strategies for GNNs
Practice: Applying Scalable GNN Training
Chapter 4: Advanced GNN Tasks and Techniques
Handling Heterogeneous Graphs (RGCN, HAN)
Modeling Dynamic and Temporal Graphs
Knowledge Graph Embeddings with GNNs
Graph Generative Models
Self-Supervised Learning on Graphs
Graph Pooling and Readout Functions
Hands-on Practical: Heterogeneous Graph Node Classification
Chapter 5: GNN Implementation, Tooling, and Optimization
Deep Graph Library (DGL) Advanced Features
PyTorch Geometric (PyG) Advanced Features
Efficient Sparse Matrix Operations for GNNs
GPU Acceleration and Memory Management
Debugging and Visualizing GNNs
Benchmarking and Performance Tuning
Integrating GNNs into Production Systems
Hands-on Practical: Optimizing a GNN Implementation
Graph Representations for Machine Learning
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- Semi-Supervised Classification with Graph Convolutional Networks, Thomas N. Kipf, Max Welling, 2017 International Conference on Learning Representations (ICLR) DOI: 10.48550/arXiv.1609.02907 - Introduces the Graph Convolutional Network (GCN) model, demonstrating the application of a normalized adjacency matrix for effective message passing and aggregation in GNNs.
- Geometric Deep Learning: Grids, Groups, Graphs, Geodesics, and Gauges, Michael M. Bronstein, Joan Bruna, Yann LeCun, Arthur Szlam, and Pierre Vandergheynst, 2021 (MIT Press) - Offers a unified mathematical framework for deep learning on geometric data, including a detailed exploration of various graph representations and their role in modern graph neural networks.
- Spectral Graph Theory (CBMS Regional Conference Series in Mathematics, No. 92), Fan R. K. Chung, 1997 Vol. 92 (American Mathematical Society) - A foundational text in spectral graph theory, providing in-depth treatment of graph Laplacians and their properties, essential for understanding spectral GNNs.